bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid

C12H23N3O4P2 — CID 11844849

IUPACbis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)OP(OCCC#N)OCCC#N
InChIInChI=1S/C12H23N3O4P2/c1-11(2)15(12(3)4)20(16)19-21(17-9-5-7-13)18-10-6-8-14/h11-12,16H,5-6,9-10H2,1-4H3
InChIKeyMICXUWOLYWPKTE-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.43
Rot. Bonds11

About bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid

bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 11844849) has the molecular formula C12H23N3O4P2 and a molecular weight of 335.28 g/mol. Its IUPAC name is bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Namebis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID11844849
Molecular FormulaC12H23N3O4P2
Molecular Weight335.28 g/mol
Exact Mass335.12
IUPAC Namebis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)OP(OCCC#N)OCCC#N
InChIInChI=1S/C12H23N3O4P2/c1-11(2)15(12(3)4)20(16)19-21(17-9-5-7-13)18-10-6-8-14/h11-12,16H,5-6,9-10H2,1-4H3
InChIKeyMICXUWOLYWPKTE-UHFFFAOYSA-N
XLogP3.43
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 11844849) is bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid is CC(C)N(C(C)C)P(O)OP(OCCC#N)OCCC#N.
What is the InChIKey of bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is MICXUWOLYWPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4P2/c1-11(2)15(12(3)4)20(16)19-21(17-9-5-7-13)18-10-6-8-14/h11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid?
bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 335.28 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 11844849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).